Geometry & MOs

Info

ID:	126758
PubChem CID:	50977163
Reduced:	OSN5C18H31 (1)
Stoich.:	ABC5D18E31 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-37.36
Dipole, Da:	3.14
IP(EA), eV:	-8.88(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC(C(=O)NC1CCCC1)SC2=NN=C(N2C)CC3CCNCC3

DOS

IR

Vibrations